methyl 5-[[4-[2-(3-thiophen-2-ylpyrazol-1-yl)ethanoyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[4-[2-(3-thiophen-2-ylpyrazol-1-yl)ethanoyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-[2-[3-(2-thienyl)pyrazol-1-yl]acetyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-[1-oxo-2-(3-thiophen-2-yl-1-pyrazolyl)ethyl]-1,4-diazepan-1-yl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-[2-(3-thiophen-2-ylpyrazol-1-yl)acetyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-[2-[3-(2-thienyl)pyrazol-1-yl]acetyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C21H24N4O4S MolecularWeight: 428.50466

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CN2CCCN(CC2)C(=O)CN3C=CC(=N3)C4=CC=CS4

Isomeric SMILES

COC(=O)C1=CC=C(O1)CN2CCCN(CC2)C(=O)CN3C=CC(=N3)C4=CC=CS4

InChI

InChI=1S/C21H24N4O4S/c1-28-21(27)18-6-5-16(29-18)14-23-8-3-9-24(12-11-23)20(26)15-25-10-7-17(22-25)19-4-2-13-30-19/h2,4-7,10,13H,3,8-9,11-12,14-15H2,1H3